Information card for entry 2230452
Chemical name |
2-[2-(4-Bromophenyl)hydrazinylidene]-1,3-diphenylpropane-1,3-dione |
Formula |
C21 H15 Br N2 O2 |
Calculated formula |
C21 H15 Br N2 O2 |
SMILES |
Brc1ccc(NN=C(C(=O)c2ccccc2)C(=O)c2ccccc2)cc1 |
Title of publication |
2-[2-(4-Bromophenyl)hydrazinylidene]-1,3-diphenylpropane-1,3-dione |
Authors of publication |
Bustos, Carlos; Alvarez-Thon, Luis; Cárcamo, Juan-Guillermo; Garland, Maria Teresa; Sánchez, Christian |
Journal of publication |
Acta Crystallographica Section E |
Year of publication |
2011 |
Journal volume |
67 |
Journal issue |
6 |
Pages of publication |
o1426 |
a |
12.0273 ± 0.0009 Å |
b |
10.2977 ± 0.0008 Å |
c |
14.2626 ± 0.0011 Å |
α |
90° |
β |
96.452 ± 0.001° |
γ |
90° |
Cell volume |
1755.3 ± 0.2 Å3 |
Cell temperature |
150 K |
Ambient diffraction temperature |
150 K |
Number of distinct elements |
5 |
Space group number |
14 |
Hermann-Mauguin space group symbol |
P 1 21/n 1 |
Hall space group symbol |
-P 2yn |
Residual factor for all reflections |
0.036 |
Residual factor for significantly intense reflections |
0.0302 |
Weighted residual factors for significantly intense reflections |
0.076 |
Weighted residual factors for all reflections included in the refinement |
0.079 |
Goodness-of-fit parameter for all reflections included in the refinement |
1.061 |
Diffraction radiation wavelength |
0.71073 Å |
Diffraction radiation type |
MoKα |
Has coordinates |
Yes |
Has disorder |
No |
Has Fobs |
Yes |
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https://www.crystallography.net/2230452.html